1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

C16H26ClN3O2 — CID 120704346

IUPAC1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(C(C)c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-13(14-5-4-6-15(11-14)21-3)18-7-9-19(10-8-18)16(20)12-17-2;/h4-6,11,13,17H,7-10,12H2,1-3H3;1H
InChIKeyARJWOQRSNZUEMA-UHFFFAOYSA-N
MW327.86 g/mol
LogP1.54
Rot. Bonds5

About 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride

1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (PubChem CID 120704346) has the molecular formula C16H26ClN3O2 and a molecular weight of 327.86 g/mol. Its IUPAC name is 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
PubChem CID120704346
Molecular FormulaC16H26ClN3O2
Molecular Weight327.86 g/mol
Exact Mass327.17
IUPAC Name1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride
SMILESCNCC(=O)N1CCN(C(C)c2cccc(OC)c2)CC1.Cl
InChIInChI=1S/C16H25N3O2.ClH/c1-13(14-5-4-6-15(11-14)21-3)18-7-9-19(10-8-18)16(20)12-17-2;/h4-6,11,13,17H,7-10,12H2,1-3H3;1H
InChIKeyARJWOQRSNZUEMA-UHFFFAOYSA-N
XLogP1.54
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.86
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]butan-1-one;dihydrochloride
CID 119877620
(2R)-2-amino-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one;dihydrochloride
CID 119877596
2-(3-methoxyphenyl)-1-[4-[2-(methylamino)acetyl]piperazin-1-yl]ethanone;hydrochloride
CID 119754913
2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]-1-(4-methylpiperazin-1-yl)ethanone
CID 81354994
3-(2-aminophenyl)-1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]propan-1-one
CID 120612989
3-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982661
(3-aminophenyl)-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]methanone;dihydrochloride
CID 119877606
[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(4-methoxypiperidin-4-yl)methanone;dihydrochloride
CID 119877616
(2S)-2-[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-N-(methylcarbamoyl)propanamide
CID 95312026
1-[4-(3-methoxyphenyl)piperidin-1-yl]-2-(methylamino)ethanone
CID 110460440
1-[4-[1-(4-chlorophenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone
CID 120704753
[4-[(1S)-1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-(3-methyl-1,2-thiazol-4-yl)methanone
CID 99820617

Frequently Asked Questions

What is the IUPAC name of 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The IUPAC name of 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride (CID 120704346) is 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride.
What is the SMILES notation for 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The canonical SMILES for 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is CNCC(=O)N1CCN(C(C)c2cccc(OC)c2)CC1.Cl.
What is the InChIKey of 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
The InChIKey is ARJWOQRSNZUEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2.ClH/c1-13(14-5-4-6-15(11-14)21-3)18-7-9-19(10-8-18)16(20)12-17-2;/h4-6,11,13,17H,7-10,12H2,1-3H3;1H.
What are the key properties of 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride?
1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride has a molecular weight of 327.86 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[1-(3-methoxyphenyl)ethyl]piperazin-1-yl]-2-(methylamino)ethanone;hydrochloride is sourced from PubChem (CID 120704346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).